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2928-17-8

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Basic Information
CAS No.: 2928-17-8
Name: 1-(4-FLUORO-PHENYL)-2-METHYL-PROPAN-2-OL
Article Data: 4
Molecular Structure:
Molecular Structure of 2928-17-8 (1-(4-FLUORO-PHENYL)-2-METHYL-PROPAN-2-OL)
Formula: C10H13FO
Molecular Weight: 168.21
Synonyms: 2-(4-Fluorophenyl)-1,1-dimethylethanol;Benzeneethanol, 4-fluoro-α,α-dimethyl-;Phenethyl alcohol, p-fluoro-α,α-dimethyl- (6CI);1-(4-Fluorophenyl)-2-methyl-2-propanol;
Density: 1.071 g/cm3
Boiling Point: 235.3 °C at 760 mmHg
Flash Point: 117.9 °C
PSA: 20.23000
LogP: 2.13910
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Specification

This product is an organic compound with the formula C10H13FO. The systematic name of this chemical is 1-(4-Fluorophenyl)-2-methylpropan-2-ol. With the CAS registry number 2928-17-8, it is also named as 2-(4-Fluorophenyl)-1,1-dimethylethanol. In addition, the molecular weight is 168.21.

Physical properties of 1-(4-Fluorophenyl)-2-methylpropan-2-ol are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.54; (6)ACD/BCF (pH 7.4): 23.54; (7)ACD/KOC (pH 5.5): 333.85; (8)ACD/KOC (pH 7.4): 333.85; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 46.56 cm3; (15)Molar Volume: 157 cm3; (16)Polarizability: 18.45×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.071 g/cm3; (19)Flash Point: 117.9 °C; (20)Enthalpy of Vaporization: 49.89 kJ/mol; (21)Boiling Point: 235.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0278 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)CC(O)(C)C
(2)InChI: InChI=1S/C10H13FO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
(3)InChIKey: DWRIANGNJXQAAT-UHFFFAOYSA-N